Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD(T)=FULL/6-31G*
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.64 | 1.64 | 1.65 | 1.65 | 1.66 | 1.66 | 1.67 | 1.67 | 1.68 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.650 | 0.011 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SeO2 | Selenium dioxide | 1.641 |
Highest value | SeO | Selenium monoxide | 1.672 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SeO | Selenium monoxide | 1.672 | 1 | 2 |
SeO2 | Selenium dioxide | 1.641 | 1 | 2 |
1.641 | 1 | 3 | ||
SeO2+ | Selenium dioxide cation | 1.648 | 1 | 2 |
1.648 | 1 | 3 |